Ligand
Ligand Name:   N-[2-(1-maleimidyl)ethyl]-7-(diethylamino)coumarin-3-carboxamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB1089 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCN(CC)c(c1)ccc(c12)cc(c(o2)=O)C(=O)N/C=C/N3C(=O)C=CC3=O
Standard InChI:   InChI=1S/C20H19N3O5/c1-3-22(4-2)14-6-5-13-11-15(20(27)28-16(13)12-14)19(26)21-9-10-23-17(24)7-8-18(23)25/h5-12H,3-4H2,1-2H3,(H,21,26)/b10-9+
Molecular Formula:   C20H19N3O5 Mol. Weight:   381.13248 logP:   1.7652
HBD:   1 HBA:   6
#Rotatable Bonds:   6 TPSA:   99.93

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Phosphate-binding protein PstS P0AG82 (PSTS_ECOLI) Escherichia coli (strain K12) 1A54 MDC
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